MMsINC Database Search


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MMsINC code: MMs03540905

Type: Neutral
Formula: C₁₉H₁₅NO₂

SMILES:

OC(=O)C(N)Cc1c2c3c4c(cc2)cccc4ccc3cc1

InChI:

InChI=1/C19H15NO2/c20-16(19(21)22)10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)18(13)17(11)12/h1-9,16H,10,20H2,(H,21,22)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.096 kcal/mol

Physical Properties
Molecular Weight: 289.334 g/mol	logS: -6.19225	SlogP: 3.53837	Reactive groups: 0

Topological Properties
Globularity: 0.0376187	Sterimol/B1: 3.02089	Sterimol/B2: 3.17619	Sterimol/B3: 3.24063
Sterimol/B4: 7.13635	Sterimol/L: 14.9749

Surface and Volume Properties
Accessible surface: 499.666	Positive charged surface: 260.579	Negative charged surface: 207.545	Volume: 277
Hydrophobic surface: 369.214	Hydrophilic surface: 130.452

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.