MMsINC Database Search


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MMsINC code: MMs00165988

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

o1c2c(nc1-c1cc(C)c(NC(=O)c3cc(ccc3)C)cc1)cc(cc2)C

InChI:

InChI=1/C23H20N2O2/c1-14-5-4-6-17(11-14)22(26)24-19-9-8-18(13-16(19)3)23-25-20-12-15(2)7-10-21(20)27-23/h4-13H,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.4151 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -7.77885	SlogP: 5.67236	Reactive groups: 0

Topological Properties
Globularity: 0.00738142	Sterimol/B1: 2.40918	Sterimol/B2: 2.53465	Sterimol/B3: 3.14249
Sterimol/B4: 7.53368	Sterimol/L: 21.2254

Surface and Volume Properties
Accessible surface: 642.937	Positive charged surface: 375.879	Negative charged surface: 267.057	Volume: 352.375
Hydrophobic surface: 576.165	Hydrophilic surface: 66.772

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.