MMsINC Database Search


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MMsINC code: MMs00157012

Type: Neutral
Formula: C₂₄H₁₉NO₂

SMILES:

Oc1ccc2c(cccc2)c1C(NC(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H19NO2/c26-21-16-15-17-9-7-8-14-20(17)22(21)23(18-10-3-1-4-11-18)25-24(27)19-12-5-2-6-13-19/h1-16,23,26H,(H,25,27)/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.15 kcal/mol

Physical Properties
Molecular Weight: 353.421 g/mol	logS: -6.58274	SlogP: 5.1603	Reactive groups: 0

Topological Properties
Globularity: 0.241521	Sterimol/B1: 2.52722	Sterimol/B2: 4.28869	Sterimol/B3: 5.42351
Sterimol/B4: 8.6689	Sterimol/L: 15.5541

Surface and Volume Properties
Accessible surface: 589.74	Positive charged surface: 306.119	Negative charged surface: 274.873	Volume: 348.25
Hydrophobic surface: 541.88	Hydrophilic surface: 47.86

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.