MMsINC Database Search


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MMsINC code: MMs02737950

Type: Neutral
Formula: C₂₅H₂₄N₂O₂

SMILES:

O(C)c1cc2c(n(Cc3ccccc3)c(C)c2C(=O)NCc2ccccc2)cc1

InChI:

InChI=1/C25H24N2O2/c1-18-24(25(28)26-16-19-9-5-3-6-10-19)22-15-21(29-2)13-14-23(22)27(18)17-20-11-7-4-8-12-20/h3-15H,16-17H2,1-2H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.5451 kcal/mol

Physical Properties
Molecular Weight: 384.479 g/mol	logS: -5.61449	SlogP: 5.46942	Reactive groups: 0

Topological Properties
Globularity: 0.20225	Sterimol/B1: 2.42428	Sterimol/B2: 4.62369	Sterimol/B3: 7.03132
Sterimol/B4: 9.76132	Sterimol/L: 14.2256

Surface and Volume Properties
Accessible surface: 692.721	Positive charged surface: 414.51	Negative charged surface: 273.244	Volume: 390.75
Hydrophobic surface: 625.688	Hydrophilic surface: 67.033

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.