MMsINC Database Search


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MMsINC code: MMs01647427

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

O=C1N(Cc2c3c(ccc2)cccc3)C(=O)NC12CCc1c(C2)cccc1

InChI:

InChI=1/C23H20N2O2/c26-21-23(13-12-16-6-1-2-8-18(16)14-23)24-22(27)25(21)15-19-10-5-9-17-7-3-4-11-20(17)19/h1-11H,12-15H2,(H,24,27)/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.3261 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -5.89528	SlogP: 4.08564	Reactive groups: 0

Topological Properties
Globularity: 0.0369159	Sterimol/B1: 3.92459	Sterimol/B2: 4.04174	Sterimol/B3: 4.36475
Sterimol/B4: 4.7877	Sterimol/L: 18.2735

Surface and Volume Properties
Accessible surface: 593.046	Positive charged surface: 322.586	Negative charged surface: 259.635	Volume: 343.625
Hydrophobic surface: 507.049	Hydrophilic surface: 85.997

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.