MMsINC Database Search


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MMsINC code: MMs03291044

Type: Neutral
Formula: C₁₇H₂₀N₂O

SMILES:

O=C(N(Cc1ccccc1)Cc1ccccc1)N(C)C

InChI:

InChI=1/C17H20N2O/c1-18(2)17(20)19(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.649 kcal/mol

Physical Properties
Molecular Weight: 268.36 g/mol	logS: -2.92815	SlogP: 3.9032	Reactive groups: 0

Topological Properties
Globularity: 0.1269	Sterimol/B1: 2.08442	Sterimol/B2: 3.3454	Sterimol/B3: 3.96995
Sterimol/B4: 8.41117	Sterimol/L: 14.5426

Surface and Volume Properties
Accessible surface: 505.651	Positive charged surface: 328.085	Negative charged surface: 177.566	Volume: 279.125
Hydrophobic surface: 472.439	Hydrophilic surface: 33.212

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.