MMsINC Database Search


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MMsINC code: MMs00266011

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O(C)c1cc2[nH]cc(c2cc1)CCNC(=O)c1cc(ccc1)C

InChI:

InChI=1/C19H20N2O2/c1-13-4-3-5-14(10-13)19(22)20-9-8-15-12-21-18-11-16(23-2)6-7-17(15)18/h3-7,10-12,21H,8-9H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.8717 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -4.17458	SlogP: 3.45739	Reactive groups: 0

Topological Properties
Globularity: 0.0508357	Sterimol/B1: 2.53476	Sterimol/B2: 3.40436	Sterimol/B3: 5.4192
Sterimol/B4: 6.61618	Sterimol/L: 18.8222

Surface and Volume Properties
Accessible surface: 594	Positive charged surface: 381.976	Negative charged surface: 207.784	Volume: 309.25
Hydrophobic surface: 493.158	Hydrophilic surface: 100.842

Pharmacophoric Properties
Hydrogen bond donors: 2	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.