MMsINC Database Search


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MMsINC code: MMs02960819

Type: Neutral
Formula: C₂₄H₂₃N₃O₂

SMILES:

O(C)c1cc(-n2c3c(nc2C)cc(cc3)C(=O)NCCc2ccccc2)ccc1

InChI:

InChI=1/C24H23N3O2/c1-17-26-22-15-19(24(28)25-14-13-18-7-4-3-5-8-18)11-12-23(22)27(17)20-9-6-10-21(16-20)29-2/h3-12,15-16H,13-14H2,1-2H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.847 kcal/mol

Physical Properties
Molecular Weight: 385.467 g/mol	logS: -5.54062	SlogP: 4.31499	Reactive groups: 0

Topological Properties
Globularity: 0.0361695	Sterimol/B1: 2.35562	Sterimol/B2: 3.70636	Sterimol/B3: 4.23418
Sterimol/B4: 7.97815	Sterimol/L: 22.0782

Surface and Volume Properties
Accessible surface: 702.624	Positive charged surface: 436.298	Negative charged surface: 266.327	Volume: 386.125
Hydrophobic surface: 623.231	Hydrophilic surface: 79.393

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.