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MMsINC code: MMs01431207

Type: Neutral
Formula: C₂₀H₂₂N₂O₂

SMILES:

O=C(C)c1ccc(NC(=O)C(N2CCCc3c2cccc3)C)cc1

InChI:

InChI=1/C20H22N2O2/c1-14(22-13-5-7-17-6-3-4-8-19(17)22)20(24)21-18-11-9-16(10-12-18)15(2)23/h3-4,6,8-12,14H,5,7,13H2,1-2H3,(H,21,24)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=158.465 kcal/mol

Physical Properties
Molecular Weight: 322.408 g/mol	logS: -4.33384	SlogP: 3.66897	Reactive groups: 0

Topological Properties
Globularity: 0.204647	Sterimol/B1: 2.161	Sterimol/B2: 4.19091	Sterimol/B3: 5.55138
Sterimol/B4: 8.26716	Sterimol/L: 14.7958

Surface and Volume Properties
Accessible surface: 574.924	Positive charged surface: 361.278	Negative charged surface: 213.646	Volume: 321
Hydrophobic surface: 492.757	Hydrophilic surface: 82.167

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.