MMsINC Database Search


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MMsINC code: MMs00683461

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

O=C(N1CCc2c(C1)cccc2)c1ccccc1NC(=O)c1ccccc1

InChI:

InChI=1/C23H20N2O2/c26-22(18-9-2-1-3-10-18)24-21-13-7-6-12-20(21)23(27)25-15-14-17-8-4-5-11-19(17)16-25/h1-13H,14-16H2,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.436 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -5.34678	SlogP: 4.40377	Reactive groups: 0

Topological Properties
Globularity: 0.1402	Sterimol/B1: 2.501	Sterimol/B2: 4.34742	Sterimol/B3: 4.87509
Sterimol/B4: 9.40792	Sterimol/L: 15.3116

Surface and Volume Properties
Accessible surface: 608.771	Positive charged surface: 343.602	Negative charged surface: 265.169	Volume: 350.125
Hydrophobic surface: 555.401	Hydrophilic surface: 53.37

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.