MMsINC Database Search


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MMsINC code: MMs03115260

Type: Neutral
Formula: C₂₄H₂₉N₃O₂

SMILES:

O(CCN(Cc1n(ccc1)Cc1ccc(cc1)C)C(=O)NCc1ccccc1)C

InChI:

InChI=1/C24H29N3O2/c1-20-10-12-22(13-11-20)18-26-14-6-9-23(26)19-27(15-16-29-2)24(28)25-17-21-7-4-3-5-8-21/h3-14H,15-19H2,1-2H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.2865 kcal/mol

Physical Properties
Molecular Weight: 391.515 g/mol	logS: -3.90875	SlogP: 5.00222	Reactive groups: 0

Topological Properties
Globularity: 0.0569745	Sterimol/B1: 3.15132	Sterimol/B2: 3.90021	Sterimol/B3: 4.20438
Sterimol/B4: 7.47275	Sterimol/L: 19.7367

Surface and Volume Properties
Accessible surface: 712.2	Positive charged surface: 475.743	Negative charged surface: 236.456	Volume: 407.625
Hydrophobic surface: 651.853	Hydrophilic surface: 60.347

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.